Promising single-atom catalysts for lithium-sulfur batteries screened by theoretical density functional theory calculations
Ce Song, Fangyuan Hu, Tianpeng Zhang, Siyang Liu, Wanyuan Jiang, Zihui Song, Zhe Wang, Man Yao, Xigao Jian
Topics & Concepts
PolysulfideCatalysisSulfurDensity functional theoryMaterials scienceAtom (system on chip)Atomic orbitalLithium (medication)AdsorptionTransition metalMetalNanotechnologyChemical physicsComputational chemistryPhysical chemistryChemistryElectrodeOrganic chemistryComputer sciencePhysicsMetallurgyEmbedded systemElectronMedicineQuantum mechanicsElectrolyteEndocrinologyAdvanced Battery Materials and TechnologiesAdvancements in Battery MaterialsPolyoxometalates: Synthesis and Applications